Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster
Abstract
The O2-producing Mn4CaO5 catalyst in photosystem II oxidizes two water molecules (substrate) to produce one O2 molecule. Considerable evidence supports the identification of one of the two substrate waters as the Mn4CaO5 cluster’s oxo bridge known as O5. The identity of the second substrate water molecule is less clear. In one set of models, the second substrate is the Mn-bound water molecule known as W2. In another set of models, the second substrate is the Ca2+-bound water molecule known as W3. In all of these models, a deprotonated form of the second substrate moves to a position next to O5 during the catalytic step immediately prior to O–O bond formation. Here, FTIR difference spectroscopy was employed to identify the vibrational modes of hydrogen-bonded water molecules that are altered by the substitution of Sr2+ for Ca2+. Our data show that the substitution substantially altered the vibrational modes of only a single water molecule: the water molecule whose D-O–D bending mode is eliminated during the catalytic step immediately prior to O–O bond formation. These data are most consistent with the identification of the Ca2+-bound W3 as the second substrate involved in O–O bond formation.
- Publication Date:
- Research Org.:
- Univ. of California, Riverside, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
- OSTI Identifier:
- 1534420
- Grant/Contract Number:
- SC0005291
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Biochemistry
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 20; Journal ID: ISSN 0006-2960
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Biochemistry & molecular biology; Molecules; Noncovalent interactions; Transition metals; Cluster chemistry; Water
Citation Formats
Kim, Christopher J., and Debus, Richard J. Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster. United States: N. p., 2017.
Web. doi:10.1021/acs.biochem.6b01278.
Kim, Christopher J., & Debus, Richard J. Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster. United States. https://doi.org/10.1021/acs.biochem.6b01278
Kim, Christopher J., and Debus, Richard J. Fri .
"Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster". United States. https://doi.org/10.1021/acs.biochem.6b01278. https://www.osti.gov/servlets/purl/1534420.
@article{osti_1534420,
title = {Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster},
author = {Kim, Christopher J. and Debus, Richard J.},
abstractNote = {The O2-producing Mn4CaO5 catalyst in photosystem II oxidizes two water molecules (substrate) to produce one O2 molecule. Considerable evidence supports the identification of one of the two substrate waters as the Mn4CaO5 cluster’s oxo bridge known as O5. The identity of the second substrate water molecule is less clear. In one set of models, the second substrate is the Mn-bound water molecule known as W2. In another set of models, the second substrate is the Ca2+-bound water molecule known as W3. In all of these models, a deprotonated form of the second substrate moves to a position next to O5 during the catalytic step immediately prior to O–O bond formation. Here, FTIR difference spectroscopy was employed to identify the vibrational modes of hydrogen-bonded water molecules that are altered by the substitution of Sr2+ for Ca2+. Our data show that the substitution substantially altered the vibrational modes of only a single water molecule: the water molecule whose D-O–D bending mode is eliminated during the catalytic step immediately prior to O–O bond formation. These data are most consistent with the identification of the Ca2+-bound W3 as the second substrate involved in O–O bond formation.},
doi = {10.1021/acs.biochem.6b01278},
journal = {Biochemistry},
number = 20,
volume = 56,
place = {United States},
year = {Fri May 05 00:00:00 EDT 2017},
month = {Fri May 05 00:00:00 EDT 2017}
}
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FIGURE 1: The Mn4CaO5 cluster and its environment showing three proposed water access/proton egress pathways each containing water molecules. Only selected residues are illustrated. Except as noted, the amino acid residues are from the D1 subunit. Salmon-colored spheres, manganese; yellow sphere, calcium; green sphere, chloride; red spheres, oxygen atoms ofmore »
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Characteristic Changes of the S 2 /S 1 Difference FTIR Spectrum Induced by Ca 2+ Depletion and Metal Cation Substitution in the Photosynthetic Oxygen-Evolving Complex †
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Calcium Exchange and Structural Changes during the Photosynthetic Oxygen Evolving Cycle
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No Evidence from FTIR Difference Spectroscopy That Glutamate-189 of the D1 Polypeptide Ligates a Mn Ion That Undergoes Oxidation during the S 0 to S 1 , S 1 to S 2 , or S 2 to S 3 Transitions in Photosystem II †
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Mutation of Lysine 317 in the D2 Subunit of Photosystem II Alters Chloride Binding and Proton Transport
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Works referencing / citing this record:
Water oxidation in photosystem II
journal, June 2019
- Lubitz, Wolfgang; Chrysina, Maria; Cox, Nicholas
- Photosynthesis Research, Vol. 142, Issue 1
The S 2 to S 3 transition for water oxidation in PSII (photosystem II), revisited
journal, January 2018
- Siegbahn, Per E. M.
- Physical Chemistry Chemical Physics, Vol. 20, Issue 35
Unequal misses during the flash-induced advancement of photosystem II: effects of the S state and acceptor side cycles
journal, September 2018
- Pham, Long Vo; Janna Olmos, Julian David; Chernev, Petko
- Photosynthesis Research, Vol. 139, Issue 1-3
Unequal misses during the flash-induced advancement of photosystem II: effects of the S state and acceptor side cycles
journal, September 2018
- Pham, Long Vo; Janna Olmos, Julian David; Chernev, Petko
- Photosynthesis Research, Vol. 139, Issue 1-3
Water oxidation in photosystem II
journal, June 2019
- Lubitz, Wolfgang; Chrysina, Maria; Cox, Nicholas
- Photosynthesis Research, Vol. 142, Issue 1
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.